methyl (3S)-4-methyl-3-[(phenylmethyl)amino]pentanoate

Systemtic Name: methyl (3S)-4-methyl-3-[(phenylmethyl)amino]pentanoate Openeye Name: methyl (3S)-3-(benzylamino)-4-methyl-pentanoate CAS Name: (3S)-4-methyl-3-[(phenylmethyl)amino]pentanoic acid methyl ester IUPAC Name: methyl (3S)-3-(benzylamino)-4-methylpentanoate Traditional Name: (3S)-3-(benzylamino)-4-methyl-valeric acid methyl ester Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)OC)NCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@H](CC(=O)OC)NCC1=CC=CC=C1

InChI

InChI=1S/C14H21NO2/c1-11(2)13(9-14(16)17-3)15-10-12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3/t13-/m0/s1